Coordinate transformation of the six-dimensional Fokker-Planck equation: Calculation of the Kramers rate constant

Autor:	Kostin, RS Larson
Rok vydání:	1985
Předmět:	Physics Viscosity Energy profile Reaction rate constant Quantum mechanics fungi Coordinate system Potential energy surface Physics::Atomic and Molecular Clusters Fokker–Planck equation Physics::Chemical Physics Potential energy Diatomic molecule
Zdroj:	Physical Review A. 32:3665-3668
ISSN:	0556-2791
DOI:	10.1103/physreva.32.3665
Popis:	The six-dimensional Fokker-Planck equation, a variational functional, and a coordinate transformation are used to derive an expression for the Kramers rate constant. An explicit equation is obtained for the rate of adsorption of a diatomic molecule on a molecular surface as a function of the potential energy between the diatomic molecule and the molecular surface, the physical properties of the diatomic molecule, the viscosity surrounding the active site, and the temperature.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::31e05acff899e6e88632543ba8c0c472 https://doi.org/10.1103/physreva.32.3665 Zobrazit plný text záznamu